Au8Si4

Axis x y z Periodic
1 9.334 0.000 0.000 True
2 0.000 7.633 0.000 True
3 0.000 0.000 20.000 True
Lengths: 9.334 7.633 20.000
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 255
Total energy -44.350 eV
Maximum force 0.019 eV/Ang
Maximum stress on unit cell 0.001 eV/Ang3
Sum of atomic masses in unit cell 1688.073 au
Age 43.882 months
Items
Au_rate 0.667
E 0.244
Si_rate 0.333
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
Chemical formula Au8Si4
Number of atoms 12
Periodic boundary conditions [ True True True]
Random (unique) ID 883c3d208a150411ab1e54a21ca4e403
Username yangxb
Volume of unit cell 1424.927 Ang3